3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide

C16H27NO3 — CID 144515522

IUPAC3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCOC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C16H27NO3/c1-5-11-17-16(18)10-12-20-13-14(3)8-7-9-15(6-2)19-4/h5-6,8,15H,1-2,7,9-13H2,3-4H3,(H,17,18)/b14-8-
InChIKeyKOLSJMOIKMWBDK-ZSOIEALJSA-N
MW281.40 g/mol
LogP2.62
Rot. Bonds12

About 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide

3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide (PubChem CID 144515522) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide
PubChem CID144515522
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCOC/C(C)=C\CCC(C=C)OC
InChIInChI=1S/C16H27NO3/c1-5-11-17-16(18)10-12-20-13-14(3)8-7-9-15(6-2)19-4/h5-6,8,15H,1-2,7,9-13H2,3-4H3,(H,17,18)/b14-8-
InChIKeyKOLSJMOIKMWBDK-ZSOIEALJSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
CID 123378652
ethane;N-[3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103663
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-4-one
CID 144515520
iodo(methylsulfanyl)borinic acid;3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide
CID 144515521
N-[(2Z)-6-methoxy-2-methylocta-2,7-dienyl]hex-5-enamide
CID 144515523
(6E,11Z)-8-methoxy-12-methyl-1-azacyclotrideca-6,11-dien-2-one
CID 144515544
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
N-butyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
CID 167241764
2-(2,5-dihydrofuran-2-yl)-N-hexylacetamide
CID 11241295
N-butyl-2-(2,5-dihydrofuran-2-yl)acetamide
CID 101253880

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide (CID 144515522) is 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)CCOC/C(C)=C\CCC(C=C)OC.
What is the InChIKey of 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide?
The InChIKey is KOLSJMOIKMWBDK-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-11-17-16(18)10-12-20-13-14(3)8-7-9-15(6-2)19-4/h5-6,8,15H,1-2,7,9-13H2,3-4H3,(H,17,18)/b14-8-.
What are the key properties of 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide?
3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 2.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 144515522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).